ChemSpider 2D Image | (3beta,5alpha,6beta,16xi,17xi,25S)-23-Hydroxyspirostan-3,6-diyl diacetate | C31H48O7

(3β,5α,6β,16ξ,17ξ,25S)-23-Hydroxyspirostan-3,6-diyl diacetate

  • Molecular FormulaC31H48O7
  • Average mass532.709 Da
  • Monoisotopic mass532.340027 Da
  • ChemSpider ID8681841

  • defined stereocentres - 11 of 14 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3β,5α,6β,16ξ,17ξ,25S)-23-Hydroxyspirostan-3,6-diyl diacetate [ACD/IUPAC Name]
(3β,5α,6β,16ξ,17ξ,25S)-23-Hydroxyspirostan-3,6-diyl-diacetat [German] [ACD/IUPAC Name]
Diacétate de (3β,5α,6β,16ξ,17ξ,25S)-23-hydroxyspirostan-3,6-diyle [French] [ACD/IUPAC Name]
Spirostan-3,6,23-triol, 3,6-diacetate, (3β,5α,6β,16ξ,17ξ,25S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 606.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.4±6.0 kJ/mol
Flash Point: 187.6±25.0 °C
Index of Refraction: 1.550
Molar Refractivity: 141.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.31
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 3628.23
ACD/KOC (pH 5.5): 12292.04
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3628.23
ACD/KOC (pH 7.4): 12292.04
Polar Surface Area: 91 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 47.6±5.0 dyne/cm
Molar Volume: 445.4±5.0 cm3

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